NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520390 |
2lcj   |
17418 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lcj
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 1
_Stereo_assign_list.Swap_percentage 0.6
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.6
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 11.629
_Stereo_assign_list.Total_e_high_states 292.089
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 1 CYS QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 PRO QB 90 no 100.0 99.6 2.660 2.669 0.010 8 1 no 0.167 0 0
1 3 PRO QD 66 no 90.0 72.8 0.757 1.039 0.283 11 4 yes 0.661 0 11
1 4 GLY QA 54 no 100.0 97.5 0.706 0.724 0.018 12 6 no 0.335 0 0
1 7 ARG QB 131 no 100.0 90.4 0.423 0.468 0.045 5 0 no 0.218 0 0
1 7 ARG QD 176 no 100.0 0.0 0.000 0.010 0.010 2 0 no 0.229 0 0
1 7 ARG QG 119 no 100.0 96.9 2.065 2.132 0.066 6 0 no 0.372 0 0
1 8 ILE QG 31 no 100.0 97.2 3.414 3.512 0.098 13 2 no 0.573 0 1
1 9 LEU QB 21 no 100.0 98.4 1.180 1.199 0.020 16 5 no 0.199 0 0
1 9 LEU QD 3 no 95.0 0.0 0.000 0.140 0.140 24 12 no 0.430 0 0
1 10 VAL QG 118 no 100.0 0.0 0.000 0.018 0.018 6 0 no 0.239 0 0
1 11 GLN QE 102 no 90.0 0.0 0.000 0.022 0.022 8 8 no 0.198 0 0
1 11 GLN QG 101 no 100.0 0.0 0.000 0.017 0.017 8 6 no 0.158 0 0
1 12 ILE QG 63 no 100.0 97.4 5.178 5.316 0.138 11 2 no 0.362 0 0
1 13 ASP QB 87 no 100.0 0.0 0.000 0.023 0.023 8 0 no 0.180 0 0
1 14 GLY QA 37 no 100.0 97.2 3.331 3.426 0.095 13 4 no 0.277 0 0
1 16 PRO QB 47 no 100.0 97.2 0.965 0.993 0.028 12 2 no 0.362 0 0
1 16 PRO QD 73 no 100.0 95.6 1.679 1.756 0.077 10 2 no 0.309 0 0
1 16 PRO QG 53 no 100.0 85.1 0.967 1.136 0.170 12 6 no 0.430 0 0
1 18 LYS QB 62 no 100.0 98.4 2.433 2.473 0.040 11 2 no 0.260 0 0
1 18 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 ILE QG 117 no 0.0 0.0 0.000 0.032 0.032 6 0 no 0.193 0 0
1 21 LEU QB 52 no 95.0 70.5 0.336 0.476 0.140 12 5 no 0.387 0 0
1 21 LEU QD 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.038 0 0
1 22 ARG QB 122 no 100.0 98.9 4.201 4.248 0.046 6 2 no 0.246 0 0
1 22 ARG QD 174 no 100.0 0.0 0.000 0.026 0.026 2 0 no 0.500 0 0
1 23 GLU QB 115 no 100.0 0.0 0.000 0.203 0.203 6 0 no 0.589 0 6
1 24 LEU QB 17 no 100.0 97.4 7.483 7.686 0.202 16 1 no 0.450 0 0
1 26 GLU QB 107 no 100.0 76.1 0.294 0.387 0.093 7 1 no 0.382 0 0
1 27 LEU QB 10 no 100.0 96.9 4.953 5.110 0.157 19 6 no 0.296 0 0
1 27 LEU QD 25 no 100.0 99.0 11.243 11.360 0.117 15 5 no 0.296 0 0
1 28 PHE QB 7 no 100.0 98.1 2.787 2.842 0.055 22 10 no 0.224 0 0
1 30 ASP QB 29 no 100.0 97.5 6.340 6.500 0.159 14 2 no 0.438 0 0
1 31 GLU QB 132 no 100.0 93.4 0.870 0.932 0.062 5 1 no 0.302 0 0
1 32 ARG QB 86 no 100.0 99.5 2.164 2.174 0.010 8 0 no 0.174 0 0
1 32 ARG QG 144 no 40.0 95.4 0.658 0.690 0.032 3 0 no 0.376 0 0
1 33 TYR QB 139 no 0.0 0.0 0.000 0.054 0.054 4 0 no 0.310 0 0
1 34 GLU QB 82 no 100.0 98.0 4.855 4.953 0.098 9 2 no 0.339 0 0
1 35 ASN QB 100 no 0.0 0.0 0.000 0.064 0.064 8 4 no 0.285 0 0
1 35 ASN QD 78 no 0.0 0.0 0.000 0.004 0.004 10 6 no 0.125 0 0
1 36 MET QB 146 no 100.0 98.6 1.628 1.652 0.024 3 2 no 0.130 0 0
1 36 MET QG 72 no 100.0 87.5 0.425 0.486 0.061 10 2 no 0.184 0 0
1 37 VAL QG 121 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.071 0 0
1 38 TYR QB 20 no 100.0 96.3 5.692 5.909 0.216 16 5 no 0.367 0 0
1 40 ARG QB 56 no 100.0 0.0 0.000 0.030 0.030 12 10 no 0.224 0 0
1 40 ARG QD 65 no 100.0 99.8 0.371 0.372 0.001 11 4 no 0.088 0 0
1 40 ARG QG 71 no 100.0 100.0 5.063 5.064 0.001 10 2 no 0.064 0 0
1 41 LYS QB 145 no 100.0 95.5 1.712 1.792 0.080 3 1 no 0.438 0 0
1 41 LYS QG 32 no 100.0 98.7 1.508 1.528 0.020 13 3 no 0.189 0 0
1 43 PRO QB 61 no 100.0 93.0 0.397 0.427 0.030 11 2 no 0.295 0 0
1 43 PRO QD 57 no 100.0 97.0 3.241 3.340 0.100 11 0 no 0.351 0 0
1 43 PRO QG 180 no 100.0 100.0 0.551 0.551 0.000 1 0 no 0.004 0 0
1 44 LYS QB 114 no 100.0 99.9 1.997 2.000 0.003 6 0 no 0.088 0 0
1 44 LYS QG 16 no 100.0 97.3 2.968 3.050 0.082 16 1 no 0.295 0 0
1 45 ARG QB 89 no 100.0 98.7 1.031 1.044 0.014 8 1 no 0.245 0 0
1 45 ARG QD 130 no 100.0 93.8 0.525 0.560 0.035 5 0 no 0.183 0 0
1 45 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 ILE QG 95 no 100.0 86.3 0.635 0.736 0.101 8 2 no 0.323 0 0
1 48 LYS QB 8 no 100.0 96.8 3.818 3.946 0.128 20 4 no 0.325 0 0
1 48 LYS QD 106 no 100.0 97.0 0.302 0.311 0.009 7 1 no 0.231 0 0
1 49 VAL QG 94 no 100.0 0.0 0.000 0.012 0.012 8 2 no 0.271 0 0
1 50 TYR QB 138 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.310 0 0
1 51 SER QB 172 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.188 0 0
1 52 ILE QG 68 no 100.0 92.3 0.566 0.614 0.047 10 0 no 0.233 0 0
1 53 ASP QB 99 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.056 0 0
1 54 LEU QB 77 no 100.0 94.7 3.480 3.673 0.193 10 4 no 0.449 0 0
1 54 LEU QD 93 no 100.0 0.0 0.000 0.050 0.050 8 2 no 0.377 0 0
1 55 GLU QB 81 no 100.0 91.2 2.475 2.713 0.238 9 1 no 0.497 0 0
1 55 GLU QG 60 no 100.0 95.2 3.287 3.451 0.164 11 1 no 0.411 0 0
1 57 GLY QA 80 no 100.0 96.5 2.611 2.706 0.095 9 0 no 0.355 0 0
1 58 LYS QB 43 no 100.0 89.1 0.837 0.939 0.102 12 0 no 0.383 0 0
1 59 VAL QG 171 no 0.0 0.0 0.000 0.040 0.040 2 0 no 0.219 0 0
1 60 VAL QG 36 no 100.0 99.9 0.651 0.652 0.000 13 4 no 0.056 0 0
1 61 LEU QB 76 no 100.0 99.9 2.646 2.648 0.002 10 4 no 0.088 0 0
1 61 LEU QD 1 no 100.0 97.3 10.539 10.834 0.296 40 17 no 0.369 0 0
1 63 ASP QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 64 ILE QG 92 no 100.0 98.0 2.062 2.104 0.042 8 2 no 0.209 0 0
1 65 GLU QB 104 no 100.0 99.5 1.907 1.916 0.010 7 0 no 0.199 0 0
1 66 ASP QB 70 no 100.0 0.0 0.000 0.058 0.058 10 2 no 0.530 0 1
1 67 VAL QG 6 no 0.0 0.0 0.000 0.059 0.059 22 6 no 0.333 0 0
1 68 ILE QG 136 no 100.0 0.0 0.000 0.027 0.027 4 0 no 0.227 0 0
1 69 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 69 LYS QG 26 no 100.0 98.6 2.967 3.009 0.042 15 6 no 0.285 0 0
1 71 PRO QD 23 no 100.0 98.1 1.237 1.261 0.024 15 2 no 0.241 0 0
1 71 PRO QG 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.037 0 0
1 75 HIS QB 85 no 5.0 0.0 0.000 0.138 0.138 8 0 no 0.771 0 3
1 76 LEU QD 35 no 100.0 83.8 0.338 0.403 0.066 13 4 no 0.326 0 0
1 77 ILE QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 ARG QB 96 no 100.0 96.6 2.938 3.041 0.103 8 3 no 0.359 0 0
1 78 ARG QD 15 no 100.0 89.2 1.973 2.212 0.238 17 10 no 0.460 0 0
1 78 ARG QG 50 no 100.0 94.0 1.629 1.733 0.104 12 4 no 0.452 0 0
1 79 PHE QB 59 no 100.0 97.6 5.318 5.451 0.133 11 1 no 0.365 0 0
1 80 GLU QG 129 no 100.0 96.6 0.365 0.378 0.013 5 0 no 0.230 0 0
1 81 LEU QB 24 no 100.0 99.6 3.434 3.447 0.013 15 5 no 0.192 0 0
1 81 LEU QD 39 no 100.0 94.1 1.136 1.207 0.072 13 6 no 0.271 0 0
1 82 GLU QB 46 no 100.0 99.1 5.054 5.099 0.045 12 2 no 0.331 0 0
1 82 GLU QG 58 no 100.0 98.3 2.609 2.655 0.046 11 1 no 0.268 0 0
1 83 ASP QB 113 no 100.0 0.0 0.000 0.051 0.051 6 0 no 0.354 0 0
1 84 GLY QA 103 no 100.0 96.1 3.110 3.237 0.126 7 0 no 0.363 0 0
1 85 ARG QD 13 no 100.0 97.7 4.531 4.636 0.105 17 4 no 0.428 0 0
1 87 PHE QB 42 no 100.0 98.9 3.454 3.492 0.038 12 0 no 0.264 0 0
1 88 GLU QB 169 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.134 0 0
1 88 GLU QG 91 no 0.0 0.0 0.000 0.092 0.092 8 2 no 0.316 0 0
1 91 VAL QG 4 no 95.0 83.0 0.906 1.092 0.185 23 4 no 0.404 0 0
1 93 HIS QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 LEU QB 19 no 100.0 98.8 1.476 1.493 0.017 16 4 no 0.174 0 0
1 96 LEU QD 109 no 90.0 96.4 0.870 0.902 0.032 7 4 no 0.218 0 0
1 97 VAL QG 11 no 100.0 97.7 0.701 0.717 0.017 19 16 no 0.268 0 0
1 98 TYR QB 22 no 100.0 98.0 6.633 6.771 0.138 15 1 no 0.394 0 0
1 99 GLU QB 125 no 100.0 0.0 0.000 0.008 0.008 6 4 no 0.124 0 0
1 99 GLU QG 79 no 100.0 0.0 0.000 0.014 0.014 10 10 no 0.268 0 0
1 100 ASN QB 49 no 100.0 99.0 7.386 7.461 0.076 12 4 no 0.353 0 0
1 100 ASN QD 143 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.114 0 0
1 101 GLY QA 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 ARG QB 51 no 100.0 97.6 5.267 5.395 0.128 12 5 no 0.276 0 0
1 102 ARG QG 141 no 100.0 0.0 0.000 0.051 0.051 4 2 no 0.236 0 0
1 103 PHE QB 69 no 100.0 97.8 4.889 4.998 0.109 10 1 no 0.286 0 0
1 104 ILE QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 GLU QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 105 GLU QG 128 no 100.0 97.4 1.066 1.095 0.029 5 0 no 0.436 0 0
1 106 LYS QB 140 no 100.0 0.0 0.000 0.082 0.082 4 2 no 0.333 0 0
1 106 LYS QE 98 no 0.0 0.0 0.000 0.013 0.013 8 4 no 0.312 0 0
1 107 ARG QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 PHE QB 75 no 100.0 0.0 0.000 0.103 0.103 10 4 no 0.404 0 0
1 110 GLU QB 45 no 100.0 99.6 3.448 3.462 0.014 12 2 no 0.179 0 0
1 110 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 VAL QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 LYS QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.063 0 0
1 114 GLY QA 84 no 100.0 93.8 0.641 0.683 0.042 8 0 no 0.423 0 0
1 115 ASP QB 83 yes 80.0 88.8 0.118 0.133 0.015 9 4 no 0.234 0 0
1 116 LYS QB 181 no 100.0 100.0 0.421 0.421 0.000 1 1 no 0.000 0 0
1 116 LYS QG 34 no 60.0 80.8 0.034 0.042 0.008 13 4 no 0.267 0 0
1 117 VAL QG 28 no 100.0 95.7 2.038 2.130 0.092 14 0 no 0.321 0 0
1 118 LEU QB 18 no 100.0 92.7 1.182 1.275 0.094 16 4 no 0.436 0 0
1 121 GLU QB 161 no 100.0 0.0 0.000 0.013 0.013 2 0 no 0.149 0 0
1 121 GLU QG 160 no 100.0 0.0 0.000 0.134 0.134 2 0 no 0.661 0 8
1 122 LEU QB 142 no 100.0 0.0 0.000 0.004 0.004 4 4 no 0.091 0 0
1 122 LEU QD 124 no 100.0 0.0 0.000 0.137 0.137 6 4 no 0.488 0 0
1 124 LEU QB 126 no 100.0 0.0 0.000 0.001 0.001 6 6 no 0.058 0 0
1 124 LEU QD 41 no 95.0 86.0 0.850 0.988 0.138 13 8 no 0.458 0 0
1 125 VAL QG 159 no 100.0 0.0 0.000 0.068 0.068 2 0 no 0.386 0 0
1 136 LYS QB 158 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.162 0 0
1 137 ASN QB 133 no 0.0 0.0 0.000 0.028 0.028 4 0 no 0.399 0 0
1 140 LEU QD 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 143 PRO QB 156 no 100.0 0.0 0.000 0.045 0.045 2 0 no 0.547 0 1
1 145 HIS QB 112 no 100.0 0.0 0.000 0.106 0.106 6 0 no 0.426 0 0
1 147 GLN QB 127 no 100.0 97.1 2.143 2.207 0.064 5 0 no 0.335 0 0
1 147 GLN QE 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 LEU QB 38 no 90.0 69.0 0.460 0.666 0.206 13 6 no 0.500 0 0
1 148 LEU QD 33 no 100.0 97.5 0.894 0.917 0.023 13 4 no 0.313 0 0
1 149 LEU QB 48 no 100.0 95.7 3.230 3.375 0.146 12 4 no 0.422 0 0
1 149 LEU QD 14 no 100.0 98.9 18.401 18.603 0.201 17 5 no 0.754 0 1
1 150 GLU QB 105 no 100.0 99.8 0.623 0.624 0.001 7 1 no 0.135 0 0
1 150 GLU QG 97 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.205 0 0
1 151 ILE QG 12 no 100.0 95.1 9.610 10.101 0.491 17 3 no 0.631 0 3
1 152 LYS QB 67 no 100.0 97.8 3.443 3.519 0.076 10 0 no 0.242 0 0
1 152 LYS QG 120 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.008 0 0
1 153 ASN QB 154 no 100.0 0.0 0.000 0.081 0.081 2 0 no 0.339 0 0
1 153 ASN QD 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 154 ILE QG 9 no 100.0 96.7 3.845 3.975 0.130 19 0 no 0.378 0 0
1 155 LYS QB 55 no 100.0 91.7 1.121 1.222 0.101 12 8 no 0.291 0 0
1 155 LYS QD 123 no 100.0 98.1 2.902 2.958 0.056 6 4 no 0.284 0 0
1 155 LYS QE 178 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 156 TYR QB 88 no 100.0 94.5 2.177 2.303 0.127 8 1 no 0.341 0 0
1 157 VAL QG 2 no 100.0 97.3 9.665 9.930 0.265 27 12 no 0.452 0 0
1 158 ARG QG 111 no 100.0 0.0 0.000 0.049 0.049 6 0 no 0.352 0 0
1 161 ASP QB 152 no 100.0 0.0 0.000 0.023 0.023 2 0 no 0.334 0 0
1 163 PHE QB 30 no 100.0 97.2 2.011 2.070 0.058 14 4 no 0.281 0 0
1 164 VAL QG 27 no 100.0 0.0 0.000 0.066 0.066 14 0 no 0.318 0 0
1 165 PHE QB 108 no 100.0 96.5 1.286 1.333 0.047 7 2 no 0.291 0 0
1 166 SER QB 151 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.143 0 0
1 170 LYS QB 150 no 0.0 0.0 0.000 0.010 0.010 2 0 no 0.240 0 0
1 172 TYR QB 149 no 100.0 0.0 0.000 0.050 0.050 2 0 no 0.508 0 1
1 175 VAL QG 110 no 0.0 0.0 0.000 0.042 0.042 6 0 no 0.504 0 1
1 177 ILE QG 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 178 ASN QB 44 no 100.0 92.9 1.272 1.369 0.097 12 1 no 0.329 0 0
1 179 GLU QG 147 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.224 0 0
1 180 ASN QB 5 no 100.0 87.5 3.145 3.594 0.449 22 4 no 0.612 0 5
1 180 ASN QD 40 no 45.0 71.3 0.078 0.110 0.032 13 8 no 0.252 0 0
1 181 ILE QG 64 no 100.0 99.3 1.270 1.278 0.009 11 3 no 0.145 0 0
1 182 VAL QG 74 no 100.0 0.0 0.000 0.067 0.067 10 4 no 0.385 0 0
stop_
save_
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